N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide

C18H19FN4O3 — CID 122303452

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C18H19FN4O3/c1-10-16(23-17(25)12-7-8-15(24)20-9-12)11(2)22-18(21-10)26-14-6-4-3-5-13(14)19/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,23,25)
InChIKeyNKCHRXFUXVTRNH-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 122303452) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
PubChem CID122303452
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C18H19FN4O3/c1-10-16(23-17(25)12-7-8-15(24)20-9-12)11(2)22-18(21-10)26-14-6-4-3-5-13(14)19/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,23,25)
InChIKeyNKCHRXFUXVTRNH-UHFFFAOYSA-N
XLogP2.49
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide (CID 122303452) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NKCHRXFUXVTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-16(23-17(25)12-7-8-15(24)20-9-12)11(2)22-18(21-10)26-14-6-4-3-5-13(14)19/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,23,25).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122303452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).